SCHEMBL9828134

SCHEMBL9828134

C=C(COC(=O)NCCCCCCCBr)COC(=O)NCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
ACHE P22303 14/20 0.50
FAAH O00519 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9828883 1.00 EPHX1 (0.53) EPHX1ACHEFAAH
SCHEMBL9828811 1.00 EPHX1 (0.53) EPHX1ACHEFAAH
SCHEMBL9829993 0.94 EPHX1 (0.53) EPHX1ACHEFAAH
SCHEMBL9828525 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9828423 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9827743 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9830422 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9829281 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9828958 0.93 PAM (0.48) EPHX1ACHEFAAH
SCHEMBL9828118 0.93 PAM (0.48) EPHX1ACHEFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247201-B1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1991-05-15 EP disclosed
US-4945098-A Novel propane-1,3-diol derivatives and use LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-07-31 US disclosed
EP-0247201-A1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-02 EP disclosed
WO-1987003281-A1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-04 WO disclosed